6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C16H14F3N3O — CID 84573602

IUPAC6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cccc(N2CCCC2)n1
InChIInChI=1S/C16H14F3N3O/c17-10-6-7-11(15(19)14(10)18)21-16(23)12-4-3-5-13(20-12)22-8-1-2-9-22/h3-7H,1-2,8-9H2,(H,21,23)
InChIKeyUUGQUSXJMXQRQL-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.35
Rot. Bonds3

About 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 84573602) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID84573602
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cccc(N2CCCC2)n1
InChIInChI=1S/C16H14F3N3O/c17-10-6-7-11(15(19)14(10)18)21-16(23)12-4-3-5-13(20-12)22-8-1-2-9-22/h3-7H,1-2,8-9H2,(H,21,23)
InChIKeyUUGQUSXJMXQRQL-UHFFFAOYSA-N
XLogP3.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-morpholin-4-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 84574004
N-(2-ethylphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573709
N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573960
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 62237786
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 84573739
6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 84573850
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573565
N-(2,5-dimethoxyphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573662
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide
CID 109094379

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 84573602) is 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cccc(N2CCCC2)n1.
What is the InChIKey of 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is UUGQUSXJMXQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-10-6-7-11(15(19)14(10)18)21-16(23)12-4-3-5-13(20-12)22-8-1-2-9-22/h3-7H,1-2,8-9H2,(H,21,23).
What are the key properties of 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 84573602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).